Molecule card · MolClass #35975
24786467
24786467: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24786467Mitochondrial Fusion · compound_name
- MolClass ID
- 35975
- InChIKey
- FNWFEIKJROTDLD-QXWFJRNPSA-N
- Canonical SMILES
- O=C5N(Cc1cccc(c1)Cl)CC4CC(c3cccn3(c2cccnc2))N6CCCC456
- Standard InChI
- InChI=1S/C25H25ClN4O/c26-20-6-1-5-18(13-20)16-28-17-19-14-23(30-12-4-9-25(19,30)24(28)31)22-8-3-11-29(22)21-7-2-10-27-15-21/h1-3,5-8,10-11,13,15,19,23H,4,9,12,14,16-17H2/t19-,23-,25-/m0/s1
- Stored Murcko scaffold
- n1cccc(c1)-n2cccc2C3N4CCCC54[CH]N(Cc6ccccc6)CC5C3
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.37 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 432.946 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.413
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24786467